[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-keto-2-(4-methylpiperidino)ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C

InChI

InChI=1S/C21H26N2O3/c1-15-10-12-22(13-11-15)20(24)14-26-21(25)18-6-8-19(9-7-18)23-16(2)4-5-17(23)3/h4-9,15H,10-14H2,1-3H3